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Item hits:

Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	13-Jul-2018	/B3LYPD3_calculations 3	Funes-Ardoiz, Ignacio	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-311++G**	-1509.30203560; Eh
	13-Jul-2018	/B3LYPD3_calculations 4	Funes-Ardoiz, Ignacio	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-311++G**	-1588.61959699; Eh
	13-Jul-2018	/B3LYPD3_calculations H2O2	Funes-Ardoiz, Ignacio	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-311++G**	-151.615070481; Eh
	13-Jul-2018	/B3LYPD3_calculations TS-c6-O2-S-H-c6	Funes-Ardoiz, Ignacio	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-311++G**	-1850.99515630; Eh
	13-Jul-2018	/B3LYPD3_calculations TS-c1-4	Funes-Ardoiz, Ignacio	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-311++G**	-1817.78622863; Eh
	13-Jul-2018	/B3LYPD3_calculations TS-c3-c4	Funes-Ardoiz, Ignacio	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-311++G**	-1817.77678372; Eh
	13-Jul-2018	/B3LYPD3_calculations TS-1-Cl	Funes-Ardoiz, Ignacio	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-311++G**	-1969.68042250; Eh
	13-Jul-2018	/B3LYPD3_calculations HOAc	Funes-Ardoiz, Ignacio	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-311++G**	-229.178252613; Eh
	13-Jul-2018	/B3LYPD3_calculations H2O	Funes-Ardoiz, Ignacio	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-311++G**	-76.4671065915; Eh
	13-Jul-2018	/B3LYPD3_calculations 2	Funes-Ardoiz, Ignacio	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-311++G**	-615.810870096; Eh

Results 10441-10450 of 104592 (Search time: 0.008 seconds).